10KZ

N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors

This is a non-PDB format compatible entry.

Summary for 10KZ

• Entry DOI: 10.2210/pdb10kz/pdb
• Descriptor: Plasma kallikrein, (3'R)-1'-(1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one (3 entities in total)
• Functional Keywords: hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 34767.72

Authors

Merchant, R.R.,Chernyak, N.,Lopez, J.A.,Sharp, P.P.,Mandal, M.,He, J.,Hruza, A.,Rearden, P.,Tatosian, D.A.,Lin, K.,Esmay, J.,Yang, S.,Cheng, A.,Ellsworth, K.,Piou, T.,Fier, P.,Hicks, J.,Sinz, C.,Ogawa, A. (deposition date: 2026-01-26, release date: 2026-03-11)

• Primary citation: Merchant, R.R.,Chernyak, N.,Lopez, J.A.,Sharp, P.P.,Mandal, M.,He, J.,Hruza, A.,Rearden, P.,Tatosian, D.A.,Esmay, J.,Yang, S.,Cheng, A.C.,Ellsworth, K.,Ogawa, A.,Piou, T.,Fier, P.,Hicks, J.,Sinz, C.,Ogawa, A.K.; N-Alkyl and N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors; Acs Med.Chem.Lett., 2026; DOI: 10.1021/acsmedchemlett.6c00066

Experimental method

X-RAY DIFFRACTION (1.78 Å)